CID 57273971

1-(tetradecyloxy)propan-2-yl acetate

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCOCC(C)OC(=O)C
InChI
InChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(2)22-19(3)20/h18H,4-17H2,1-3H3
InChIKey
PCRBTNZNEYJDCH-UHFFFAOYSA-N
Compound name
1-tetradecoxypropan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1150
Patents

314.2821 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.289376 187.3
[M+Na]+ 337.271318 189.0
[M-H]- 313.274824 185.3
[M+NH4]+ 332.315923 202.0
[M+K]+ 353.245258 187.1
[M+H-H2O]+ 297.279360 180.2
[M+HCOO]- 359.280301 205.7
[M+CH3COO]- 373.295951 212.1
[M+Na-2H]- 335.256766 184.9
[M]+ 314.28155142 195.8
[M]- 314.28264858 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe